3-(4H-1,2,4-Triazol-4-yl)benzoic acid

Catalog Number	ACM335255806-1
CAS	335255-80-6
Structure
Synonyms	3-Htba
IUPAC Name	3-(1,2,4-triazol-4-yl)benzoic acid
Molecular Weight	189.17
Molecular Formula	C9H7N3O2
InChI	InChI=1S/C9H7N3O2/c13-9(14)7-2-1-3-8(4-7)12-5-10-11-6-12/h1-6H,(H,13,14)
InChI Key	CFDCJKUCKNZXBW-UHFFFAOYSA-N
Purity	97%
Complexity	216
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	189.053826475g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Monoisotopic Mass	189.053826475g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68Ų